Basic information
- CAS
128701-01-9- Standard SMILES
COc1cc(CCC(=O)/C=C/CCc2ccc(O)cc2)ccc1O- InChIKey
JYHZFCAVESZNKO-HWKANZROSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Overview
1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-one is a diarylheptanoid that is (4E)-4-hepten-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a member of guaiacols, an enone and a diarylheptanoid.
Names & identifiers
- Preferred name
- Gingerenone C
- IUPAC
- (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
Names & synonyms
Gingerenone C128701-01-9(4E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-oneDTXSID001317537RefChem:1085786DTXCID6017473461-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-(4E)-4-hepten-3-oneCHEMBL1270357SCHEMBL30190106CHEBI:70703Q271390341-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one
Database identifiers
- CAS
128701-01-9- PubChem CID
- 5317593
- DTXSID
DTXSID001317537- ChEMBL
CHEMBL1270357- ChEBI
CHEBI:70703- Nikkaji
- J282.845F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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